Kersti Hermansson

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Tünde Megyes1
Szabolcz Balint1
Renat Nazmutdinov1
1Tünde Megyes
1Szabolcz Balint
1Renat Nazmutdinov
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We assess the consequences of the interface model-embedded-cluster or periodic-slab model-on the ability of DFT calculations to describe charge transfer (CT) in a particularly challenging case where periodic-slab calculations indicate a delocalized charge-transfer state. Our example is Cu atom adsorption on ZnO(10(1)0), and in fact the periodic slab(More)
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